SEARCH Articles Figures Tables A Computer-Algebraic Approach to the Derivation of Feynman-Goldstone Perturbation Expansions for Open-Shell Atoms and Molecules A WEB for spin-restricted open shell Asymmetric open shell Atomic orbitals open-shell configuration Atoms in open-shell molecules Barrier means a cost of opening the closed-shells Bonding in Open-Shell Transition-Metal Complexes Cluster Theory for Open-Shell Molecules Clusters open-shell Configuration general open-shell Configuration interaction , open-shell Configuration interaction , open-shell effect Coupled-cluster approximation, open-shell Coupled-cluster approximation, open-shell molecules Coupled-cluster theory open-shell Coupled-cluster theory open-shell systems Defects open-shell Density functional theory , open-shell Density open-shell character Doublet open-shell ground states Electron open shell Electron propagator theory , open-shell Electronic Spectroscopy of High Temperature Open-Shell Polyatomic Molecules Electrostatic interactions open-shell electrons Energy expression open-shell system Features in Electronic Spectra of Open-Shell Systems Fock matrix high-spin open-shell Fock matrix open-shell systems For open-shell system Force constants, open-shell molecules Functional Theory for Open-Shell Molecules Hartree open-shell species Hartree restricted open-shell Hartree-Fock theory restricted open-shell Helium, confined open-shell High-spin open-shell High-spin open-shell coupled-cluster theory Kramers-Restricted Open-Shell Methods Lewis structure open-shell Local-density approximation open-shell Many-body perturbation theory open-shell Many-body perturbation theory open-shell molecules Matrix diagonalization, open-shell molecules Metallocenes open shell Molecular beam electric resonance of open shell molecules Molecular orbitals, open-shell molecules Open Shell Atomic Beam Scattering and the Spin Orbit Dependence of Potential Energy Surfaces Open d shells Open shell atom photoionization Open shell atoms Open shell reactions Open shell species, potential energy Open shell species, potential energy surfaces Open shell states with both spin and orbital angular momentum Open shell systems curve Open shell systems triplet Open shell transition local spin Open shells implementing UHF Open- shell states Open-Shell Benzenoid Polycyclic Hydrocarbons Open-Shell Electronic Structures Open-Shell Kramers-Restricted Coupled-Cluster Expansions Open-shell CISD calculations Open-shell Hartree-Fock theory (RHF) Open-shell Lewis structures and spin hybrids Open-shell NBOs Open-shell Pseudohamiltonians Open-shell biradicals Open-shell calculation Open-shell cases Open-shell cluster expansion approach Open-shell computational methods Open-shell computations Open-shell configuration Open-shell electronic states Open-shell exchange matrix Open-shell implementation Open-shell ion Open-shell many body formalism Open-shell methods Open-shell molecular orbitals calculations Open-shell molecules Open-shell organic molecules Open-shell perturbation theory Open-shell porphyrin Open-shell singlet Open-shell singlet state Open-shell species Open-shell species DODS) Open-shell species spins Open-shell systems Open-shell systems clusters Open-shell systems, electron correlation Open-shell systems, photoionization Open-shell transition metal ions Open-shell transition-metal complexe Open-shell transition-metal complexe molecules Open-shell wavefunction Organic molecules closed/open shell Other open-shell situations. Ensemble averaging Quantum chemistry, open-shell molecules ROHF (Restricted Open Shell Hartree ROHF (Restricted Open Shell Hartree Saddle point ROHF approximation open-shell Random-phase approximation , open-shell Reference functions, open-shell molecules Restricted HF theory. An open-shell system Restricted Open-Shell Kohn-Sham Theory (ROKS) Restricted Open-shell Calculations Restricted Open-shell Hartree-Fock ROHF) Restricted Open-shell Hartree-Fock method Restricted open shell Hartree-Fock Self-consistent Restricted open shell Hartree-Fock field Restricted open-shell Restricted open-shell HF Restricted open-shell Hartree-Fock Restricted open-shell Hartree-Fock approximation Restricted open-shell Hartree-Fock electron correlation methods Restricted open-shell Hartree-Fock procedure Restricted open-shell Hartree-Fock spin contamination Restricted open-shell Kohn-Sham Restricted open-shell Kohn-Sham ROKS) Restricted open-shell formalism Restricted open-shell reference functions Semi-Cluster Expansion Theories for the Open-Shell States Semiempirical method for transition metal complexes with open (-shells Shell closed versus open Slater determinants, open-shell molecules Spin adaptation open-shell molecules Spin contamination open-shell molecules Spin multiplicity, open-shell molecules Spin-restricted open-shell Hartree-Fock Spin-restricted open-shell Hartree-Fock ROHF) Spin-restricted open-shell Hartree-Fock ROHF) orbitals Spin-restricted open-shell Hartree-Fock ROHF) reference functions Spin-restricted open-shell Kohn-Sham Spin-restricted open-shell Kohn-Sham method Steric Effects of Open d Shells Steric activity of the open d shell Symmetry breaking open-shell molecules Theoretical Model Chemistry and Its Relevance to the Open-Shell Formalisms Transition open shell Triplet open-shell ground states Two open-shell system Unrestricted Hartree-Fock restricted high-spin open-shell Unrestricted and Restricted Open-shell Hartree-Fock Methods for Crystals Unrestricted open-shell Wave operator open-shell